SCHEMBL3177259

SCHEMBL3177259

CN(C)CCc1cn(CC2CC2)c2c(F)ccc(OCc3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
KDM1A O60341 4/20 0.39
HTR1D P28221 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
HTR6 P50406 4/20 0.37
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR2B P41595 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1163144 0.87 HTR2A (0.48) HTR2AKDM1AHTR1DTRPM8HTR6
SCHEMBL3804876 0.87 HTR2A (0.48) HTR2AHTR2CKDM1AHTR1DTRPM8
SCHEMBL3806838 0.85 HTR2A (0.47) HTR2AHTR2CKDM1AHTR1DTRPM8
SCHEMBL16509893 0.85 HTR2A (0.47) HTR2AHTR2CKDM1AHTR1DTRPM8
SCHEMBL3183284 0.83 HTR2A (0.46) HTR2AHTR2CKDM1AHTR1DTRPM8
SCHEMBL23805238 0.83 HTR2A (0.63) HTR2AHTR2CCNR2CNR1HTR6
SCHEMBL30359257 0.83 HTR2A (0.63) HTR2AHTR2CCNR2CNR1HTR6
SCHEMBL1163485 0.82 HTR2A (0.50) HTR2AHTR2CKDM1AHTR1DTRPM8
SCHEMBL3176686 0.82 HTR2A (0.51) HTR2AHTR2CCNR2CNR1KDM1A
SCHEMBL17147641 0.81 HTR2A (0.49) HTR2AKDM1AHTR1DTRPM8HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 US disclosed
US-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 US disclosed
US-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 US disclosed
US-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS SARD HOWARD P 2010-06-03 US disclosed
US-7655691-B2 Indole compounds useful as serotonin selective agents ORGANIX, INC. 2010-02-02 US disclosed
EP-1799640-A4 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS ORGANIX INC (US) 2009-09-02 EP disclosed
EP-1799640-A2 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS Organix, Inc. (US) 2007-06-27 EP disclosed
US-20060100266-A1 Indole compounds useful as serotonin selective agents ORGANIX, INC. (US) 2006-05-11 US disclosed
WO-2006047032-A2 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS ORGANIX, INC. (US) 2006-05-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS TPH1, TPH2, AANAT HTR2A 11/4885HTR2C 15/4885CNR2 51/4885
US-20060100266-A1 Indole compounds useful as serotonin selective agents TPH1, TPH2, AANAT HTR2A 11/4885HTR2C 15/4885CNR2 51/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.